CID 100680

83269-12-9

Structural Information

Molecular Formula
C17H19N5O2
SMILES
CCOC(=O)NC1=NC(=C2C(=C1)N(CC(=N2)C3=CC=CC=C3)C)N
InChI
InChI=1S/C17H19N5O2/c1-3-24-17(23)21-14-9-13-15(16(18)20-14)19-12(10-22(13)2)11-7-5-4-6-8-11/h4-9H,3,10H2,1-2H3,(H3,18,20,21,23)
InChIKey
HIPMTQACWFOFPL-UHFFFAOYSA-N
Compound name
ethyl N-(5-amino-1-methyl-3-phenyl-2H-pyrido[3,4-b]pyrazin-7-yl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

325.15387 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.16115 178.5
[M+Na]+ 348.14309 186.1
[M-H]- 324.14659 181.9
[M+NH4]+ 343.18769 188.8
[M+K]+ 364.11703 181.0
[M+H-H2O]+ 308.15113 167.8
[M+HCOO]- 370.15207 197.1
[M+CH3COO]- 384.16772 214.4
[M+Na-2H]- 346.12854 183.4
[M]+ 325.15332 178.0
[M]- 325.15442 178.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.